Crystallography Open Database

Information card for entry 1551229

Preview

Coordinates	1551229.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H34.55 B Cl N6 O3.55 P0.775 W
Calculated formula	C24 H30 B Cl N6 O3.55 P0.775 W
SMILES	[BH]12n3[n]([W]4(C#[O])([C](#[C]4P(=O)[O-])O)(Cl)([n]4n1c(cc4C)C)[n]1n2c(cc1C)C)c(cc3C)C.c1ccccc1
Title of publication	Phosphaisonitrile umpolung - synthesis and reactivity of chloro aminophosphino carbynes.
Authors of publication	Colebatch, Annie L.; Frogley, Benjamin J.; Hill, Anthony F.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	28
Pages of publication	10628 - 10641
a	14.3645 ± 0.0002 Å
b	15.7367 ± 0.0002 Å
c	16.4046 ± 0.0002 Å
α	90°
β	115.079 ± 0.002°
γ	90°
Cell volume	3358.66 ± 0.09 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0454
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.1191
Weighted residual factors for all reflections included in the refinement	0.1209
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
223769 (current)	2019-11-07	cif/ Updating files of 1551229, 1551230, 1551231, 1551232, 1551233 Original log message: Adding full bibliography for 1551229--1551233.cif.	1551229.cif
215698	2019-06-05	cif/ Adding structures of 1551229, 1551230, 1551231, 1551232, 1551233 via cif-deposit CGI script.	1551229.cif